SCHEMBL2808073

SCHEMBL2808073

CC(C)(OO)c1ccccc1C(C)(C)OO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
ALOX15 P16050 1/20 0.61
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.40
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1421189 0.93 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL9899516 0.91 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL8740212 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL29764509 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL29449728 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRCA2
SCHEMBL28329679 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL362548 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TDP1TSHRCA2
SCHEMBL9015724 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15TDP1TSHRMAPK1
SCHEMBL10448876 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1TSHRMAPK1
Tert-Butyl Hydroperoxide SCHEMBL3447116 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15TDP1TSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960698-B2 Method for treating tar SUMITOMO CHEMICAL COMPNAY, LIMTED (JP) 2005-11-01 US claimed
US-6800787-B2 Catalyst for acidolysis of aromatic hydroperoxy compound and process for producing aromatic hydroxy compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-10-05 US claimed
US-20040073071-A1 Catalyst for acidolysis of aromatic hydroperoxy compound and process for producing aromatic hydroxy compound using the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-04-15 US claimed
US-20030183557-A1 Method for treating tar SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-02 US claimed
EP-0429453-B1 DIISOPROPYLBENZENE-BISPERNEOALKANOATES Peroxid-Chemie GmbH (DE) 1993-06-09 EP claimed
EP-0429453-A1 DIISOPROPYLBENZENE-BISPERNEOALKANOATES. PEROXID CHEMIE GMBH (DE) 1991-06-05 EP claimed
WO-1989008642-A1 DIISOPROPYLBENZOL-BISPERNEOALKANOATES PEROXID-CHEMIE GMBH (DE) 1989-09-21 WO claimed
CN-116003224-B Method for preparing resorcinol 中国石油化工股份有限公司 2024-05-28 CN disclosed
CN-116003224-A Method for preparing resorcinol 中国石油化工股份有限公司 2023-04-25 CN disclosed
EP-2468723-A1 METHOD FOR HANDLING AN AQUEOUS SOLUTION CONTAINING A WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDES, AND METHOD FOR MANUFACTURING HYDROXYBENZENES Sumitomo Chemical Company, Limited (JP) 2012-06-27 EP disclosed
US-20120149942-A1 METHOD FOR HANDLING AQUEOUS SOLUTION CONTAINING WATER-SOLUBLE SUBSTANCE, METHOD FOR MANUFACTURING ALKYLBENZENE HYDROPEROXIDE, AND METHOD FOR MANUFACTURING HYDROXYBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-14 US disclosed
US-20100240782-A1 PROCESS FOR PREPARING STYRENE-BASED (CO)POLYMERS AKZO NOBEL N.V. (NL) 2010-09-23 US disclosed
EP-2212357-A1 PROCESS FOR PREPARING STYRENE-BASED (CO)POLYMERS Akzo Nobel N.V. (NL) 2010-08-04 EP disclosed
WO-1989008642-A1 DIISOPROPYLBENZOL-BISPERNEOALKANOATES PEROXID-CHEMIE GMBH (DE) 1989-09-21 WO disclosed
EP-0327361-A1 3-(2-hydroperoxy-2-propyl)phenol and method of producing resorcinol using the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-08-09 EP disclosed
US-4092470-A SUSPENSION POLYMERIZATION OF VINYL HALIDE AKZONA INCORPORATED (US) 1978-05-30 US disclosed
US-4039475-A Stable, pumpable, aqueous suspensions of organic peroxides AKZONA INCORPORATED (US) 1977-08-02 US disclosed
US-3948907-A VINYL POLYMERIZATION INITIATORS THE DOW CHEMICAL COMPANY (US) 1976-04-06 US disclosed
US-3948891-A INITIATORS OF VINYL POLYMERIZATION THE DOW CHEMICAL COMPANY (US) 1976-04-06 US disclosed
US-3947418-A POLYMERIZATION INITIATORS THE DOW CHEMICAL COMPANY (US) 1976-03-30 US disclosed